Information card for entry 7107476

Structure parameters

• Formula: C66 H72 I2 N6 S6
• Calculated formula: C66 H72 I2 N6 S6
• Title of publication: Selective capture of volatile iodine using amorphous molecular organic solids
• Authors of publication: Pin-Shen Huang; Chih-Hong Kuo; Chang-Chih Hsieh; Yih-Chern Horng
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3227
• a: 17.583 ± 0.003 Å
• b: 17.583 ± 0.003 Å
• c: 48.345 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12944 ± 4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1417
• Residual factor for significantly intense reflections: 0.0924
• Weighted residual factors for significantly intense reflections: 0.2989
• Weighted residual factors for all reflections included in the refinement: 0.3261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No